| SpectraBase Compound ID | BVhOwcMGL7p |
|---|---|
| InChI | InChI=1S/C8H7Br3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,8H,5H2 |
| InChIKey | FTUFZKWDDCIZAC-UHFFFAOYSA-N |
| Mol Weight | 342.86 g/mol |
| Molecular Formula | C8H7Br3 |
| Exact Mass | 339.809789 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JAWcfyKyFIb |
|---|---|
| Name | 1-(Bromomethyl)-4-(dibromomethyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.809789225 u |
| Formula | C8H7Br3 |
| InChI | InChI=1S/C8H7Br3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,8H,5H2 |
| InChIKey | FTUFZKWDDCIZAC-UHFFFAOYSA-N |
| Molecular Weight | 342.856 g/mol |
| SMILES | C(C1=CC=C(C=C1)CBr)(Br)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924498 |